1.0 2010-04-08 22:05:50 UTC 2025-11-18 22:52:54 UTC FDB003503 Spinacetin 3-(2''-apiosylgentiobioside) Constituent of spinach leaves (Spinacia oleracea). Spinacetin 3-(2''-apiosylgentiobioside) is found in green vegetables and spinach. 3-[(O-D-Apio-beta-D-furanosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone 3-O-[b-D-apiofuranosyl-(1->2)[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside] Quercetagetin 6,3'-dimethyl ether 3-(2''-apiosylgentiobioside) Spinacetin 3-(2''-apiosylgentiobioside) Spinacetin 3-[apiosyl-(1->2)[glucosyl-(1->6)]-glucoside] Spinacetin 3-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside Spinacetin 3-O-[b-D-apiofuranosyl-(1->2)[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside] Spinacetin 3-O-[b-D-apiosyl-(1->2)[b-D-glucosyl-(1->6)]-b-D-glucoside] Spinacetin 3-O-beta-D-glucopyranosyl(1->6)-[beta-D-apiofuranosyl(1->2)]-beta-D-glucopyranoside Spinacetin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside C34H42O22 802.6841 802.216773028 3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one 3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one 195206-60-1 COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O InChI=1S/C34H42O22/c1-48-14-5-11(3-4-12(14)37)26-28(22(42)18-15(52-26)6-13(38)27(49-2)21(18)41)55-32-29(56-33-30(46)34(47,9-36)10-51-33)24(44)20(40)17(54-32)8-50-31-25(45)23(43)19(39)16(7-35)53-31/h3-6,16-17,19-20,23-25,29-33,35-41,43-47H,7-10H2,1-2H3/t16-,17-,19-,20-,23+,24+,25-,29-,30+,31-,32+,33+,34-/m1/s1 NVYWCFHFPXGDKS-CWKIFMPXSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-O-methylated flavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Tertiary alcohols Tetrahydrofurans Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Tertiary alcohol Tetrahydrofuran Vinylogous acid logp -0.67 ALOGPS logs -2.04 ALOGPS solubility 7.33e+00 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 6.96 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one ChemAxon average_mass 802.6841 ChemAxon mono_mass 802.216773028 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O ChemAxon formula C34H42O22 ChemAxon inchi InChI=1S/C34H42O22/c1-48-14-5-11(3-4-12(14)37)26-28(22(42)18-15(52-26)6-13(38)27(49-2)21(18)41)55-32-29(56-33-30(46)34(47,9-36)10-51-33)24(44)20(40)17(54-32)8-50-31-25(45)23(43)19(39)16(7-35)53-31/h3-6,16-17,19-20,23-25,29-33,35-41,43-47H,7-10H2,1-2H3/t16-,17-,19-,20-,23+,24+,25-,29-,30+,31-,32+,33+,34-/m1/s1 ChemAxon inchikey NVYWCFHFPXGDKS-CWKIFMPXSA-N ChemAxon polar_surface_area 342.9 ChemAxon refractivity 179.3 ChemAxon polarizability 75.7 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 22 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 788220 Specdb::CMs 788221 Specdb::CMs 788222 Specdb::CMs 788223 Specdb::CMs 788224 Specdb::CMs 788225 Specdb::CMs 788226 Specdb::CMs 788227 Specdb::CMs 788228 Specdb::CMs 788229 Specdb::CMs 788230 Specdb::CMs 788231 Specdb::NmrOneD 18842 Specdb::NmrOneD 18843 Specdb::NmrOneD 18844 Specdb::NmrOneD 18845 Specdb::NmrOneD 18846 Specdb::NmrOneD 18847 Specdb::NmrOneD 18848 Specdb::NmrOneD 18849 Specdb::NmrOneD 18850 Specdb::NmrOneD 18851 Specdb::NmrOneD 18852 Specdb::NmrOneD 18853 Specdb::NmrOneD 18854 Specdb::NmrOneD 18855 Specdb::NmrOneD 18856 Specdb::NmrOneD 18857 Specdb::NmrOneD 18858 Specdb::NmrOneD 18859 Specdb::NmrOneD 18860 Specdb::NmrOneD 18861 Specdb::MsMs 61542 Specdb::MsMs 61543 Specdb::MsMs 61544 Specdb::MsMs 118089 Specdb::MsMs 118090 Specdb::MsMs 118091 Specdb::MsMs 440512 Specdb::MsMs 452036 Specdb::MsMs 2374889 Specdb::MsMs 2374890 Specdb::MsMs 2374891 Specdb::MsMs 2560884 Specdb::MsMs 2560885 Specdb::MsMs 2560886 HMDB31425 #<Reference:0x000055ce3056c080> Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562 11.240333 11.240333207 11.240333207 mg/100 g